#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kk6 s GLY 2 N 0.00 0.27 0.60 -5.12 0.00 -1.26 -5.02 107.32 96.79 2kk6 s GLY 2 Ca 0.00 0.13 0.38 0.00 0.00 0.00 0.00 44.72 45.22 2kk6 s GLY 2 CO 0.00 1.00 2.18 0.84 0.00 0.00 0.00 173.10 177.12 2kk6 h HIS 3 N 7.91 0.00 -3.71 1.90 2.76 -2.12 -3.35 115.15 118.54 2kk6 h HIS 3 Ca -0.27 0.00 -0.66 0.00 -2.20 0.00 0.00 60.37 57.24 2kk6 h HIS 3 Cb 1.13 0.00 -0.39 0.00 1.55 0.00 0.00 27.41 29.69 2kk6 h HIS 3 CO 0.49 0.02 -0.74 -1.01 -1.30 0.00 0.00 177.93 175.39 2kk6 s HIS 4 N -3.98 3.50 -1.40 5.26 0.09 -1.26 -5.04 115.29 112.47 2kk6 s HIS 4 Ca -0.02 -2.73 -0.15 0.00 -0.00 0.00 0.00 55.06 52.15 2kk6 s HIS 4 Cb 0.11 -2.57 0.04 0.00 -0.00 0.00 0.00 32.58 30.16 2kk6 s HIS 4 CO 0.49 -0.92 2.13 0.72 -0.00 0.00 0.00 174.74 177.16 2kk6 n HIS 5 N 4.34 3.67 -1.97 1.40 -0.00 -1.26 -4.90 115.22 116.50 2kk6 n HIS 5 Ca -0.01 -2.90 -0.25 0.00 -0.00 0.00 0.00 57.72 54.56 2kk6 n HIS 5 Cb 0.42 -2.54 -0.06 0.00 -0.00 0.00 0.00 29.99 27.81 2kk6 n HIS 5 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kk6 s HIS 6 N 3.52 1.74 0.19 4.41 -3.43 -1.26 -4.87 115.29 115.60 2kk6 s HIS 6 Ca 0.49 0.86 0.00 0.00 -0.80 0.00 0.00 55.06 55.61 2kk6 s HIS 6 Cb 0.12 -3.90 -0.04 0.00 -1.43 0.00 0.00 32.58 27.33 2kk6 s HIS 6 CO -0.05 -1.41 0.08 -1.01 -2.00 0.00 0.00 174.74 170.34 2kk6 s HIS 7 N 11.58 1.19 -0.31 0.38 4.02 -1.26 -5.04 115.29 125.85 2kk6 s HIS 7 Ca 0.73 -1.22 -0.03 0.00 1.02 0.00 0.00 55.06 55.56 2kk6 s HIS 7 Cb -0.05 -0.65 0.07 0.00 -1.02 0.00 0.00 32.58 30.93 2kk6 s HIS 7 CO 0.07 -0.44 2.55 0.72 1.02 0.00 0.00 174.74 178.66 2kk6 n HIS 8 N -0.27 1.24 -1.70 1.40 -0.00 -1.26 -4.94 115.22 109.69 2kk6 n HIS 8 Ca -0.02 -1.82 -0.42 0.00 -0.00 0.00 0.00 57.72 55.46 2kk6 n HIS 8 Cb 0.65 -1.19 -0.03 0.00 -0.00 0.00 0.00 29.99 29.42 2kk6 n HIS 8 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 2kk6 s SER 9 N 0.63 5.38 0.17 0.41 0.01 -1.26 -4.83 113.70 114.21 2kk6 s SER 9 Ca 0.45 1.59 0.25 0.00 1.31 0.00 0.00 55.95 59.55 2kk6 s SER 9 Cb 0.29 -2.51 0.52 0.00 0.21 0.00 0.00 66.02 64.54 2kk6 s SER 9 CO -0.09 -2.06 1.51 -0.74 0.41 0.00 0.00 173.24 172.26 2kk6 h HIS 10 N 15.30 0.00 -3.15 2.43 -0.00 -2.05 -3.44 115.15 124.24 2kk6 h HIS 10 Ca -0.36 0.00 -0.26 0.00 -0.00 0.00 0.00 60.37 59.75 2kk6 h HIS 10 Cb 1.23 0.00 -0.33 0.00 -0.00 0.00 0.00 27.41 28.30 2kk6 h HIS 10 CO 0.95 0.00 -0.60 1.41 -0.00 0.00 0.00 177.93 179.69 2kk6 s MET 11 N -3.15 0.08 0.30 5.26 1.75 -1.26 -5.15 119.30 117.12 2kk6 s MET 11 Ca 0.08 0.48 -0.16 0.00 -1.25 0.00 0.00 55.69 54.83 2kk6 s MET 11 Cb 0.12 -0.20 -0.09 0.00 2.84 0.00 0.00 34.83 37.50 2kk6 s MET 11 CO 0.67 -0.23 0.73 0.15 -0.65 0.00 0.00 175.02 175.70 2kk6 s LYS 12 N 1.67 4.06 0.94 4.11 -0.14 -1.26 -5.08 119.74 124.04 2kk6 s LYS 12 Ca -0.04 0.72 -0.11 0.00 -1.36 0.00 0.00 55.97 55.18 2kk6 s LYS 12 Cb -0.12 -2.55 0.16 0.00 -1.68 0.00 0.00 37.83 33.64 2kk6 s LYS 12 CO -0.06 0.22 1.10 -1.25 -0.76 0.00 0.00 175.35 174.60 2kk6 s PRO 13 N -2.72 0.83 0.25 -1.68 0.04 -1.26 -4.78 135.00 125.68 2kk6 s PRO 13 Ca 0.51 1.18 -0.04 0.00 0.04 0.00 0.00 61.00 62.69 2kk6 s PRO 13 Cb -0.12 -1.73 0.47 0.00 0.04 0.00 0.00 34.50 33.16 2kk6 s PRO 13 CO 0.18 -2.64 1.74 1.25 0.04 0.00 0.00 177.00 177.57 2kk6 h LEU 14 N -1.86 0.33 -1.46 -3.56 5.85 -1.98 0.56 115.31 113.20 2kk6 h LEU 14 Ca -0.49 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.34 2kk6 h LEU 14 Cb 1.28 0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.38 2kk6 h LEU 14 CO 0.48 0.13 0.00 0.00 -0.34 0.00 0.00 178.44 178.71 2kk6 h ALA 15 N 1.54 1.00 0.00 1.25 0.00 -1.94 -1.68 119.26 119.42 2kk6 h ALA 15 Ca 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 2kk6 h ALA 15 Cb 0.62 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2kk6 h ALA 15 CO -0.39 0.00 -1.63 0.39 0.00 0.00 0.00 179.25 177.63 2kk6 n GLU 16 N -2.43 0.64 -1.66 0.00 -0.58 0.16 -4.94 120.64 111.83 2kk6 n GLU 16 Ca -0.01 -0.07 -0.42 0.00 -0.42 0.00 0.00 57.16 56.24 2kk6 n GLU 16 Cb 0.11 -1.64 -0.03 0.00 -0.57 0.00 0.00 31.44 29.31 2kk6 n GLU 16 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 2kk6 s GLN 17 N -3.43 3.85 0.48 3.49 -1.52 -0.64 -4.87 119.66 117.02 2kk6 s GLN 17 Ca -0.05 2.44 0.22 0.00 -1.95 0.00 0.00 55.36 56.02 2kk6 s GLN 17 Cb 0.12 -4.22 1.23 0.00 -0.22 0.00 0.00 33.01 29.92 2kk6 s GLN 17 CO 0.86 -1.29 2.01 -0.44 -0.25 0.00 0.00 175.29 176.19 2kk6 h ASP 18 N 11.89 0.00 1.34 5.90 3.32 -1.92 0.70 116.42 137.66 2kk6 h ASP 18 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 2kk6 h ASP 18 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 2kk6 h ASP 18 CO 0.95 0.17 0.00 4.11 -1.72 0.00 0.00 179.24 182.75 2kk6 h TRP 19 N 0.00 0.00 -3.56 4.55 5.08 -1.88 -3.12 115.95 117.01 2kk6 h TRP 19 Ca -0.00 0.00 -0.62 0.00 1.08 0.00 0.00 58.89 59.34 2kk6 h TRP 19 Cb 0.39 0.00 -0.13 0.00 -3.00 0.00 0.00 29.16 26.42 2kk6 h TRP 19 CO 0.00 0.00 0.27 -0.47 -1.28 0.00 0.00 178.44 176.96 2kk6 s TYR 20 N -3.42 3.10 -2.78 0.12 5.04 0.24 -0.53 117.35 119.12 2kk6 s TYR 20 Ca 0.04 0.36 0.23 0.00 -2.44 0.00 0.00 57.07 55.26 2kk6 s TYR 20 Cb 0.08 -3.35 0.20 0.00 0.35 0.00 0.00 41.96 39.24 2kk6 s TYR 20 CO 0.57 -0.75 1.23 0.72 -1.34 0.00 0.00 175.55 175.98 2kk6 n HIS 21 N 6.32 0.05 -2.57 4.97 8.25 -0.84 -4.76 115.22 126.65 2kk6 n HIS 21 Ca 0.01 -0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 2kk6 n HIS 21 Cb 0.48 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.59 2kk6 n HIS 21 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kk6 n GLY 22 N 1.29 -1.39 2.26 -1.41 0.00 -1.25 -4.39 105.19 100.29 2kk6 n GLY 22 Ca 0.14 -1.52 -0.22 0.00 0.00 0.00 0.00 46.02 44.41 2kk6 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kk6 n ALA 23 N 1.65 6.51 -1.69 4.61 0.00 -1.26 -1.17 120.51 129.16 2kk6 n ALA 23 Ca 0.00 -2.61 -0.33 0.00 0.00 0.00 0.00 53.44 50.51 2kk6 n ALA 23 Cb 0.00 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.12 2kk6 n ALA 23 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2kk6 s ILE 24 N -0.49 3.80 0.70 0.00 -4.36 -1.26 -4.82 121.20 114.77 2kk6 s ILE 24 Ca 0.63 0.89 -0.16 0.00 -0.26 0.00 0.00 60.65 61.75 2kk6 s ILE 24 Cb 0.33 -3.39 0.00 0.00 1.25 0.00 0.00 42.46 40.65 2kk6 s ILE 24 CO -0.11 -0.46 1.02 -2.65 0.24 0.00 0.00 174.94 172.98 2kk6 n PRO 25 N -1.86 0.61 -0.34 0.37 -0.02 -1.26 -4.81 135.00 127.68 2kk6 n PRO 25 Ca 0.09 0.26 0.09 0.00 -2.02 0.00 0.00 63.50 61.92 2kk6 n PRO 25 Cb 0.53 -2.26 0.28 0.00 -0.02 0.00 0.00 33.50 32.03 2kk6 n PRO 25 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2kk6 h ARG 26 N -0.10 0.87 0.24 -0.52 2.43 -1.98 -2.39 114.38 112.94 2kk6 h ARG 26 Ca -0.48 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 58.65 2kk6 h ARG 26 Cb 1.34 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 30.65 2kk6 h ARG 26 CO 0.48 0.57 -0.44 0.82 -1.51 0.00 0.00 179.97 179.89 2kk6 h ILE 27 N 0.89 0.13 -0.20 1.20 2.04 -2.00 -2.44 117.51 117.13 2kk6 h ILE 27 Ca 0.51 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.40 2kk6 h ILE 27 Cb 0.62 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 2kk6 h ILE 27 CO -0.28 0.00 0.14 -0.33 0.00 0.00 0.00 178.15 177.68 2kk6 h GLU 28 N -0.76 0.12 -0.48 2.37 4.39 -1.80 -0.57 114.58 117.86 2kk6 h GLU 28 Ca -0.01 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.59 2kk6 h GLU 28 Cb 0.73 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.34 2kk6 h GLU 28 CO -0.18 0.08 -0.07 0.00 -1.16 0.00 0.00 179.01 177.68 2kk6 h ALA 29 N 1.89 0.65 0.00 3.43 0.00 -1.04 -3.29 119.26 120.89 2kk6 h ALA 29 Ca 0.09 -0.32 -0.22 0.00 0.00 0.00 0.00 54.91 54.46 2kk6 h ALA 29 Cb 0.19 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 2kk6 h ALA 29 CO -0.01 0.52 -1.34 -0.56 0.00 0.00 0.00 179.25 177.85 2kk6 h GLN 30 N 0.74 0.00 -0.25 0.00 3.07 -0.87 -3.36 115.11 114.43 2kk6 h GLN 30 Ca 0.13 0.00 0.07 0.00 0.09 0.00 0.00 58.65 58.93 2kk6 h GLN 30 Cb 0.61 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.16 2kk6 h GLN 30 CO 0.04 0.52 0.18 0.93 0.09 0.00 0.00 178.83 180.59 2kk6 h GLU 31 N 0.00 0.04 -0.07 0.06 4.39 -1.21 -1.65 114.58 116.14 2kk6 h GLU 31 Ca -0.16 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.53 2kk6 h GLU 31 Cb 1.76 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.40 2kk6 h GLU 31 CO 0.08 0.02 0.00 1.47 -1.16 0.00 0.00 179.01 179.42 2kk6 n LEU 32 N -4.47 1.38 -4.59 1.33 -0.00 -1.25 -4.83 117.00 104.57 2kk6 n LEU 32 Ca 0.03 -0.51 -0.40 0.00 -0.00 0.00 0.00 56.01 55.13 2kk6 n LEU 32 Cb 0.31 -0.04 -0.08 0.00 -0.00 0.00 0.00 43.42 43.61 2kk6 n LEU 32 CO 0.35 0.26 0.17 -0.76 -0.00 0.00 0.00 177.39 177.40 2kk6 s LEU 33 N -1.83 4.16 0.00 1.47 1.43 -0.62 -4.87 118.68 118.42 2kk6 s LEU 33 Ca 0.36 0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.70 2kk6 s LEU 33 Cb 0.19 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.87 2kk6 s LEU 33 CO 0.31 -0.31 0.00 2.29 0.23 0.00 0.00 176.35 178.86 2kk6 n LYS 34 N 5.52 0.00 -4.01 1.70 0.00 -1.26 -5.04 118.16 115.07 2kk6 n LYS 34 Ca -0.06 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 57.99 2kk6 n LYS 34 Cb 0.50 -0.34 -0.04 0.00 -0.00 0.00 0.00 35.03 35.15 2kk6 n LYS 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 2kk6 s LYS 35 N -1.49 3.20 -0.62 -1.58 -2.85 -1.26 -5.02 119.74 110.12 2kk6 s LYS 35 Ca 0.00 -0.71 -0.26 0.00 -1.00 0.00 0.00 55.97 54.00 2kk6 s LYS 35 Cb 0.00 -2.83 -0.10 0.00 -2.06 0.00 0.00 37.83 32.84 2kk6 s LYS 35 CO 0.00 0.51 2.43 0.94 0.10 0.00 0.00 175.35 179.33 2kk6 n GLN 36 N -0.43 0.82 0.00 1.78 -0.06 -1.26 -2.52 117.38 115.71 2kk6 n GLN 36 Ca -0.08 -0.26 0.00 0.00 -2.00 0.00 0.00 57.00 54.67 2kk6 n GLN 36 Cb 0.54 -3.37 0.00 0.00 -4.06 0.00 0.00 30.24 23.35 2kk6 n GLN 36 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2kk6 n GLY 37 N 6.26 3.13 3.66 1.69 0.00 -0.91 -4.98 105.19 114.04 2kk6 n GLY 37 Ca 0.42 -0.42 -0.53 0.00 0.00 0.00 0.00 46.02 45.49 2kk6 n GLY 37 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kk6 n ASP 38 N 0.00 2.34 -3.87 1.61 8.00 -1.05 -3.77 116.55 119.82 2kk6 n ASP 38 Ca 0.00 1.08 -0.10 0.00 0.71 0.00 0.00 54.79 56.47 2kk6 n ASP 38 Cb 0.00 -1.22 -0.09 0.00 -0.02 0.00 0.00 41.12 39.79 2kk6 n ASP 38 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2kk6 s PHE 39 N 2.24 0.08 0.06 1.24 -0.71 -1.26 -0.64 117.98 118.99 2kk6 s PHE 39 Ca 0.91 -0.29 -0.19 0.00 -1.04 0.00 0.00 56.93 56.31 2kk6 s PHE 39 Cb -0.94 -0.05 0.04 0.00 -1.21 0.00 0.00 43.02 40.86 2kk6 s PHE 39 CO 0.54 -0.39 0.45 -0.48 -1.34 0.00 0.00 175.22 174.00 2kk6 s LEU 40 N -1.96 0.23 -0.18 -1.99 2.34 -0.28 -3.32 118.68 113.53 2kk6 s LEU 40 Ca -0.07 0.02 -0.03 0.00 0.06 0.00 0.00 54.13 54.11 2kk6 s LEU 40 Cb -0.02 1.89 -0.02 0.00 -0.56 0.00 0.00 46.19 47.48 2kk6 s LEU 40 CO -0.03 -0.71 -0.05 -0.69 -1.06 0.00 0.00 176.35 173.81 2kk6 s VAL 41 N -2.63 3.56 0.26 1.48 1.01 0.31 -0.91 120.40 123.47 2kk6 s VAL 41 Ca -0.04 -0.46 0.08 0.00 0.00 0.00 0.00 61.98 61.56 2kk6 s VAL 41 Cb -0.00 -2.58 -0.05 0.00 0.00 0.00 0.00 36.38 33.75 2kk6 s VAL 41 CO -0.03 0.47 -0.11 0.00 0.00 0.00 0.00 175.10 175.42 2kk6 s ARG 42 N 0.80 1.51 0.05 2.72 1.70 -0.87 -1.98 118.95 122.89 2kk6 s ARG 42 Ca -0.02 -1.72 0.02 0.00 -0.47 0.00 0.00 55.73 53.54 2kk6 s ARG 42 Cb -0.15 -1.28 -0.04 0.00 -0.57 0.00 0.00 34.95 32.91 2kk6 s ARG 42 CO 0.02 0.15 0.08 -2.00 -1.08 0.00 0.00 175.30 172.46 2kk6 s GLU 43 N -3.65 2.96 0.56 3.89 2.12 -0.31 -0.08 118.70 124.18 2kk6 s GLU 43 Ca 0.27 -0.61 -0.18 0.00 0.36 0.00 0.00 54.97 54.81 2kk6 s GLU 43 Cb 0.01 -2.78 -0.05 0.00 0.26 0.00 0.00 34.13 31.56 2kk6 s GLU 43 CO 0.11 0.60 1.10 -1.12 -0.54 0.00 0.00 175.26 175.41 2kk6 s SER 44 N -2.15 5.72 -0.13 -1.70 0.01 -0.34 -4.25 113.70 110.86 2kk6 s SER 44 Ca 0.27 2.06 -0.23 0.00 1.31 0.00 0.00 55.95 59.36 2kk6 s SER 44 Cb -0.12 -2.57 -0.21 0.00 0.21 0.00 0.00 66.02 63.34 2kk6 s SER 44 CO 0.19 -1.22 0.61 0.45 0.41 0.00 0.00 173.24 173.68 2kk6 h HIS 45 N 0.96 0.00 -0.01 2.43 -0.00 -1.91 -3.36 115.15 113.26 2kk6 h HIS 45 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.88 2kk6 h HIS 45 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.66 2kk6 h HIS 45 CO 0.54 0.79 -0.27 0.41 -0.00 0.00 0.00 177.93 179.39 2kk6 n GLY 46 N 1.65 -0.39 2.82 2.45 0.00 -1.26 -4.60 105.19 105.86 2kk6 n GLY 46 Ca -0.08 -0.46 -0.28 0.00 0.00 0.00 0.00 46.02 45.20 2kk6 n GLY 46 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2kk6 n LYS 47 N -0.40 1.83 -2.08 1.61 3.00 -1.26 -5.09 118.16 115.76 2kk6 n LYS 47 Ca 0.12 -4.44 -0.42 0.00 -0.00 0.00 0.00 58.31 53.57 2kk6 n LYS 47 Cb 0.38 -2.25 -0.03 0.00 0.00 0.00 0.00 35.03 33.13 2kk6 n LYS 47 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2kk6 s PRO 48 N -1.51 4.27 0.00 1.64 0.04 -1.26 -2.30 135.00 135.88 2kk6 s PRO 48 Ca 0.27 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.48 2kk6 s PRO 48 Cb -0.02 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.19 2kk6 s PRO 48 CO -0.16 -0.55 0.00 0.41 0.04 0.00 0.00 177.00 176.74 2kk6 n GLY 49 N 3.67 0.62 3.26 0.56 0.00 -1.26 -5.05 105.19 106.98 2kk6 n GLY 49 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 2kk6 n GLY 49 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kk6 s GLU 50 N -0.78 2.61 -0.05 1.61 2.12 -0.97 -4.92 118.70 118.32 2kk6 s GLU 50 Ca 0.00 -1.18 -0.03 0.00 0.36 0.00 0.00 54.97 54.12 2kk6 s GLU 50 Cb 0.00 -3.41 -0.04 0.00 0.26 0.00 0.00 34.13 30.94 2kk6 s GLU 50 CO 0.00 -0.65 0.13 0.71 -0.54 0.00 0.00 175.26 174.91 2kk6 s TYR 51 N 1.38 3.46 -0.18 5.30 1.51 -1.26 -1.20 117.35 126.36 2kk6 s TYR 51 Ca -0.02 0.35 -0.01 0.00 -1.01 0.00 0.00 57.07 56.38 2kk6 s TYR 51 Cb -0.19 -1.83 0.00 0.00 -0.11 0.00 0.00 41.96 39.82 2kk6 s TYR 51 CO 0.02 0.63 -0.13 0.08 -1.11 0.00 0.00 175.55 175.04 2kk6 s VAL 52 N -1.16 2.75 -0.25 0.71 1.01 0.88 -0.71 120.40 123.64 2kk6 s VAL 52 Ca 0.21 -0.72 -0.23 0.00 0.00 0.00 0.00 61.98 61.24 2kk6 s VAL 52 Cb -0.12 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 2kk6 s VAL 52 CO 0.11 0.49 0.74 -0.22 0.00 0.00 0.00 175.10 176.23 2kk6 s LEU 53 N 1.12 4.07 -0.27 3.92 2.96 0.50 -2.04 118.68 128.94 2kk6 s LEU 53 Ca 0.01 0.87 -0.04 0.00 -0.22 0.00 0.00 54.13 54.75 2kk6 s LEU 53 Cb -0.14 -3.04 0.01 0.00 0.50 0.00 0.00 46.19 43.52 2kk6 s LEU 53 CO -0.04 -0.46 0.01 -0.44 -1.32 0.00 0.00 176.35 174.10 2kk6 s SER 54 N 1.41 4.71 0.01 3.68 0.01 -0.09 -0.36 113.70 123.07 2kk6 s SER 54 Ca 0.31 -0.74 0.03 0.00 1.31 0.00 0.00 55.95 56.86 2kk6 s SER 54 Cb -0.15 -1.78 -0.01 0.00 0.21 0.00 0.00 66.02 64.29 2kk6 s SER 54 CO 0.08 -0.15 -0.10 0.54 0.41 0.00 0.00 173.24 174.02 2kk6 s VAL 55 N 1.43 0.81 -0.62 3.43 0.11 -0.06 -1.12 120.40 124.37 2kk6 s VAL 55 Ca 0.02 -0.61 -0.23 0.00 -2.93 0.00 0.00 61.98 58.22 2kk6 s VAL 55 Cb -0.17 -0.72 0.06 0.00 -1.53 0.00 0.00 36.38 34.03 2kk6 s VAL 55 CO -0.01 0.10 0.97 -0.47 -3.33 0.00 0.00 175.10 172.36 2kk6 s TYR 56 N -0.48 2.70 -0.00 1.54 5.04 0.19 -0.11 117.35 126.22 2kk6 s TYR 56 Ca 0.02 -0.34 0.03 0.00 -2.44 0.00 0.00 57.07 54.34 2kk6 s TYR 56 Cb -0.05 -4.22 -0.01 0.00 0.35 0.00 0.00 41.96 38.03 2kk6 s TYR 56 CO 0.00 -1.56 -0.10 0.45 -1.34 0.00 0.00 175.55 173.00 2kk6 s SER 57 N 3.38 1.17 -1.83 4.32 0.15 0.51 -2.13 113.70 119.26 2kk6 s SER 57 Ca 0.25 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.70 2kk6 s SER 57 Cb -0.15 -0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.04 2kk6 s SER 57 CO 0.13 0.10 0.00 0.47 1.20 0.00 0.00 173.24 175.15 2kk6 n ASP 58 N 2.73 -5.01 0.00 5.45 8.00 -1.26 -0.46 116.55 126.01 2kk6 n ASP 58 Ca -0.14 0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.68 2kk6 n ASP 58 Cb 0.56 -4.38 0.00 0.00 -0.02 0.00 0.00 41.12 37.28 2kk6 n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kk6 n GLY 59 N -0.54 1.91 3.72 0.44 0.00 -1.26 -5.03 105.19 104.43 2kk6 n GLY 59 Ca -0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 2kk6 n GLY 59 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kk6 s GLN 60 N -0.26 2.79 -0.65 1.61 -0.21 0.40 -5.07 119.66 118.27 2kk6 s GLN 60 Ca 0.00 -0.67 -0.27 0.00 0.02 0.00 0.00 55.36 54.44 2kk6 s GLN 60 Cb 0.00 -2.68 0.04 0.00 1.00 0.00 0.00 33.01 31.37 2kk6 s GLN 60 CO 0.00 0.59 1.17 1.03 -2.12 0.00 0.00 175.29 175.96 2kk6 s ARG 61 N -2.02 3.31 -0.05 2.91 3.00 -1.26 -0.36 118.95 124.48 2kk6 s ARG 61 Ca 0.24 -0.13 -0.15 0.00 0.00 0.00 0.00 55.73 55.69 2kk6 s ARG 61 Cb -0.12 -4.11 -0.05 0.00 0.00 0.00 0.00 34.95 30.67 2kk6 s ARG 61 CO 0.16 -1.86 0.40 1.03 0.00 0.00 0.00 175.30 175.04 2kk6 s ARG 62 N 5.04 4.06 -0.20 3.54 1.81 0.84 -4.93 118.95 129.12 2kk6 s ARG 62 Ca 0.36 0.37 0.01 0.00 -1.72 0.00 0.00 55.73 54.75 2kk6 s ARG 62 Cb -0.09 -3.30 0.03 0.00 -0.45 0.00 0.00 34.95 31.13 2kk6 s ARG 62 CO 0.19 0.50 -0.17 -1.01 -0.68 0.00 0.00 175.30 174.12 2kk6 s HIS 63 N -0.43 2.85 -0.25 -0.53 3.76 -1.26 -0.89 115.29 118.54 2kk6 s HIS 63 Ca 0.23 -1.79 -0.03 0.00 -0.15 0.00 0.00 55.06 53.33 2kk6 s HIS 63 Cb -0.16 -1.90 0.02 0.00 1.11 0.00 0.00 32.58 31.66 2kk6 s HIS 63 CO 0.11 -0.82 -0.04 -0.06 -0.85 0.00 0.00 174.74 173.09 2kk6 s PHE 64 N 1.26 3.07 0.26 1.40 0.08 0.51 -4.94 117.98 119.63 2kk6 s PHE 64 Ca 0.02 -1.43 -0.30 0.00 0.12 0.00 0.00 56.93 55.34 2kk6 s PHE 64 Cb -0.15 -2.09 -0.09 0.00 -0.57 0.00 0.00 43.02 40.12 2kk6 s PHE 64 CO -0.11 -0.70 1.09 0.42 -0.10 0.00 0.00 175.22 175.83 2kk6 s ILE 65 N 1.36 3.56 -0.41 0.64 1.01 -1.26 -0.37 121.20 125.73 2kk6 s ILE 65 Ca 0.01 1.54 -0.22 0.00 0.00 0.00 0.00 60.65 61.97 2kk6 s ILE 65 Cb -0.17 -3.98 0.02 0.00 0.01 0.00 0.00 42.46 38.34 2kk6 s ILE 65 CO -0.03 0.35 0.74 -0.63 0.00 0.00 0.00 174.94 175.37 2kk6 s ILE 66 N -1.02 4.73 -0.09 2.92 1.01 0.12 -4.84 121.20 124.02 2kk6 s ILE 66 Ca 0.45 0.55 -0.28 0.00 0.00 0.00 0.00 60.65 61.38 2kk6 s ILE 66 Cb -0.31 -4.23 -0.02 0.00 0.01 0.00 0.00 42.46 37.90 2kk6 s ILE 66 CO 0.40 -0.55 0.92 -1.10 0.00 0.00 0.00 174.94 174.61 2kk6 s GLN 67 N 3.08 4.42 -0.71 2.79 1.11 -0.86 -4.45 119.66 125.05 2kk6 s GLN 67 Ca 0.29 1.25 -0.18 0.00 0.01 0.00 0.00 55.36 56.73 2kk6 s GLN 67 Cb -0.13 -3.52 0.13 0.00 -1.01 0.00 0.00 33.01 28.48 2kk6 s GLN 67 CO 0.19 -0.22 0.82 -0.47 0.01 0.00 0.00 175.29 175.62 2kk6 s TYR 68 N 1.69 3.15 0.01 0.91 5.04 -1.26 -1.29 117.35 125.60 2kk6 s TYR 68 Ca 0.46 -1.23 0.03 0.00 -2.44 0.00 0.00 57.07 53.88 2kk6 s TYR 68 Cb -0.18 -4.05 -0.01 0.00 0.35 0.00 0.00 41.96 38.07 2kk6 s TYR 68 CO 0.19 -1.29 -0.11 0.08 -1.34 0.00 0.00 175.55 173.08 2kk6 s VAL 69 N 2.26 0.82 -1.63 3.14 1.01 -0.55 -4.70 120.40 120.76 2kk6 s VAL 69 Ca 0.17 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.48 2kk6 s VAL 69 Cb -0.17 -0.73 0.00 0.00 0.00 0.00 0.00 36.38 35.47 2kk6 s VAL 69 CO 0.00 0.07 0.00 0.47 0.00 0.00 0.00 175.10 175.64 2kk6 n ASP 70 N 2.38 -5.11 -2.33 3.32 8.00 -1.26 -0.74 116.55 120.80 2kk6 n ASP 70 Ca -0.16 0.15 -0.21 0.00 0.71 0.00 0.00 54.79 55.28 2kk6 n ASP 70 Cb 0.56 -4.35 -0.02 0.00 -0.02 0.00 0.00 41.12 37.29 2kk6 n ASP 70 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2kk6 n ASN 71 N -1.72 -5.90 -4.05 -2.24 3.02 -1.26 -5.00 115.26 98.11 2kk6 n ASN 71 Ca -0.21 0.03 -0.19 0.00 -0.03 0.00 0.00 54.58 54.18 2kk6 n ASN 71 Cb 0.64 -4.93 -0.15 0.00 -0.61 0.00 0.00 39.78 34.74 2kk6 n ASN 71 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2kk6 s MET 72 N -4.94 0.81 -0.22 3.52 -1.94 0.08 -4.76 119.30 111.85 2kk6 s MET 72 Ca 0.00 -0.39 -0.26 0.00 -1.71 0.00 0.00 55.69 53.33 2kk6 s MET 72 Cb 0.00 -0.78 -0.00 0.00 2.01 0.00 0.00 34.83 36.06 2kk6 s MET 72 CO 0.00 0.21 0.88 0.71 -0.01 0.00 0.00 175.02 176.81 2kk6 s TYR 73 N -0.30 3.34 0.28 -0.03 2.02 0.83 -1.48 117.35 122.01 2kk6 s TYR 73 Ca 0.03 1.24 0.02 0.00 -0.37 0.00 0.00 57.07 57.99 2kk6 s TYR 73 Cb -0.04 -3.09 -0.04 0.00 -0.40 0.00 0.00 41.96 38.39 2kk6 s TYR 73 CO -0.00 -0.38 0.13 -0.98 -1.57 0.00 0.00 175.55 172.75 2kk6 s ARG 74 N 2.74 1.49 0.00 -0.62 1.70 -0.41 -0.58 118.95 123.26 2kk6 s ARG 74 Ca 0.38 -1.82 0.00 0.00 -0.47 0.00 0.00 55.73 53.81 2kk6 s ARG 74 Cb -0.16 -0.17 0.00 0.00 -0.57 0.00 0.00 34.95 34.06 2kk6 s ARG 74 CO 0.08 -0.37 0.00 1.19 -1.08 0.00 0.00 175.30 175.12 2kk6 n PHE 75 N -0.51 0.00 -1.34 5.89 3.72 -1.19 -2.03 117.46 122.01 2kk6 n PHE 75 Ca 0.00 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.16 2kk6 n PHE 75 Cb 0.66 0.04 -0.09 0.00 -0.94 0.00 0.00 39.48 39.15 2kk6 n PHE 75 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 2kk6 n GLU 76 N -1.24 2.70 0.00 -1.08 4.07 -1.26 -4.79 120.64 119.04 2kk6 n GLU 76 Ca 0.00 -1.94 0.00 0.00 -0.06 0.00 0.00 57.16 55.16 2kk6 n GLU 76 Cb 0.00 -2.24 0.00 0.00 -0.06 0.00 0.00 31.44 29.14 2kk6 n GLU 76 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2kk6 n GLY 77 N 2.00 1.15 3.69 8.31 0.00 -1.26 -4.91 105.19 114.17 2kk6 n GLY 77 Ca 0.52 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 46.11 2kk6 n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kk6 s THR 78 N 0.00 2.63 0.30 2.61 2.01 -1.26 -4.86 115.64 117.06 2kk6 s THR 78 Ca 0.00 0.16 -0.03 0.00 0.31 0.00 0.00 61.69 62.13 2kk6 s THR 78 Cb 0.00 -3.10 -0.01 0.00 0.01 0.00 0.00 72.50 69.40 2kk6 s THR 78 CO 0.00 0.00 0.38 -0.83 -0.69 0.00 0.00 174.62 173.48 2kk6 s GLY 79 N 2.55 1.42 0.18 4.40 0.00 -1.26 -3.15 107.32 111.45 2kk6 s GLY 79 Ca 0.79 -1.51 0.10 0.00 0.00 0.00 0.00 44.72 44.10 2kk6 s GLY 79 CO 0.35 -1.07 -0.21 -1.36 0.00 0.00 0.00 173.10 170.81 2kk6 s PHE 80 N -3.51 2.02 0.35 1.90 0.40 0.25 -4.87 117.98 114.51 2kk6 s PHE 80 Ca 0.32 -0.42 0.05 0.00 -0.60 0.00 0.00 56.93 56.28 2kk6 s PHE 80 Cb 0.01 -1.01 0.69 0.00 0.51 0.00 0.00 43.02 43.23 2kk6 s PHE 80 CO 0.18 0.40 1.94 0.66 0.70 0.00 0.00 175.22 179.10 2kk6 h SER 81 N 3.25 0.72 -4.46 1.36 4.64 -1.86 0.24 113.55 117.44 2kk6 h SER 81 Ca -0.44 0.01 -0.68 0.00 -0.47 0.00 0.00 61.79 60.21 2kk6 h SER 81 Cb 1.21 -0.15 -0.28 0.00 -0.31 0.00 0.00 62.40 62.86 2kk6 h SER 81 CO 0.49 0.47 -0.88 0.20 -0.87 0.00 0.00 176.83 176.24 2kk6 s ASN 82 N -6.14 2.98 0.13 4.97 0.01 -1.26 -4.49 114.94 111.13 2kk6 s ASN 82 Ca -0.10 -0.50 -0.22 0.00 -0.71 0.00 0.00 52.86 51.33 2kk6 s ASN 82 Cb 0.20 -0.30 -0.02 0.00 0.41 0.00 0.00 41.25 41.53 2kk6 s ASN 82 CO 0.78 0.28 1.67 0.40 -1.51 0.00 0.00 177.10 178.72 2kk6 h ILE 83 N 4.41 0.63 -0.99 0.60 2.04 -1.94 -0.48 117.51 121.78 2kk6 h ILE 83 Ca -0.44 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.55 2kk6 h ILE 83 Cb 1.13 0.63 -0.09 0.00 -0.74 0.00 0.00 36.82 37.76 2kk6 h ILE 83 CO 0.46 0.00 0.63 1.55 0.00 0.00 0.00 178.15 180.78 2kk6 h PRO 84 N -0.15 0.91 -0.07 2.37 0.13 -1.96 -2.18 132.00 131.05 2kk6 h PRO 84 Ca 0.09 -0.05 -0.18 0.00 -0.87 0.00 0.00 66.00 64.99 2kk6 h PRO 84 Cb 0.29 -0.21 -0.01 0.00 0.13 0.00 0.00 31.00 31.21 2kk6 h PRO 84 CO -0.23 0.60 -0.73 1.96 -0.23 0.00 0.00 178.00 179.37 2kk6 h GLN 85 N 0.94 0.36 0.13 0.86 1.08 -1.86 0.15 115.11 116.77 2kk6 h GLN 85 Ca 0.50 -0.30 0.02 0.00 -1.45 0.00 0.00 58.65 57.42 2kk6 h GLN 85 Cb 0.57 0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 28.02 2kk6 h GLN 85 CO -0.27 0.94 -0.31 1.25 -0.95 0.00 0.00 178.83 179.49 2kk6 h LEU 86 N 0.24 -0.88 -0.02 1.46 5.85 -0.48 0.31 115.31 121.80 2kk6 h LEU 86 Ca -0.03 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 2kk6 h LEU 86 Cb 1.31 0.33 -0.00 0.00 0.37 0.00 0.00 40.66 42.67 2kk6 h LEU 86 CO 0.12 -0.40 -0.03 0.40 -0.34 0.00 0.00 178.44 178.19 2kk6 h ILE 87 N -0.53 1.41 -0.10 4.05 1.08 -1.48 -2.80 117.51 119.14 2kk6 h ILE 87 Ca 0.03 -1.28 0.04 0.00 -0.39 0.00 0.00 64.86 63.26 2kk6 h ILE 87 Cb 0.56 2.22 -0.05 0.00 -3.07 0.00 0.00 36.82 36.48 2kk6 h ILE 87 CO -0.17 0.34 -0.22 -0.78 -0.69 0.00 0.00 178.15 176.63 2kk6 h ASP 88 N -0.44 -0.67 -0.62 1.72 3.58 -0.71 0.33 116.42 119.61 2kk6 h ASP 88 Ca 0.00 0.11 -0.05 0.00 0.42 0.00 0.00 57.03 57.51 2kk6 h ASP 88 Cb 0.57 0.30 -0.03 0.00 1.72 0.00 0.00 39.33 41.89 2kk6 h ASP 88 CO 0.01 -0.27 0.21 -0.74 -2.88 0.00 0.00 179.24 175.57 2kk6 h HIS 89 N -0.29 1.01 -0.41 0.28 2.76 -1.03 0.64 115.15 118.10 2kk6 h HIS 89 Ca 0.09 -0.08 -0.08 0.00 -2.20 0.00 0.00 60.37 58.09 2kk6 h HIS 89 Cb 0.43 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 29.07 2kk6 h HIS 89 CO -0.31 0.80 -0.08 0.45 -1.30 0.00 0.00 177.93 177.49 2kk6 h HIS 90 N 0.96 0.86 -0.04 5.26 3.86 -1.18 -2.68 115.15 122.19 2kk6 h HIS 90 Ca 0.21 -0.18 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 2kk6 h HIS 90 Cb 0.26 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 28.51 2kk6 h HIS 90 CO 0.02 0.89 -0.02 -0.92 0.86 0.00 0.00 177.93 178.76 2kk6 h TYR 91 N 0.59 0.10 -0.08 2.45 3.20 0.13 0.20 116.97 123.56 2kk6 h TYR 91 Ca 0.11 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 2kk6 h TYR 91 Cb 0.59 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.84 2kk6 h TYR 91 CO 0.05 0.47 0.03 1.79 -1.64 0.00 0.00 178.16 178.86 2kk6 h THR 92 N -0.29 1.13 0.00 1.81 1.35 -0.99 -2.07 112.91 113.85 2kk6 h THR 92 Ca 0.01 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 2kk6 h THR 92 Cb 0.44 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 2kk6 h THR 92 CO 0.01 0.12 0.00 0.71 -0.25 0.00 0.00 175.52 176.10 2kk6 h THR 93 N -0.02 0.00 -2.89 6.82 1.35 -1.54 -3.47 112.91 113.17 2kk6 h THR 93 Ca 0.03 -0.31 -0.36 0.00 -0.55 0.00 0.00 66.41 65.21 2kk6 h THR 93 Cb 0.15 1.12 -0.00 0.00 -1.73 0.00 0.00 68.15 67.70 2kk6 h THR 93 CO -0.00 0.00 -0.48 1.17 -0.25 0.00 0.00 175.52 175.96 2kk6 n LYS 94 N -2.38 -2.07 -2.46 4.72 3.00 0.59 -4.99 118.16 114.57 2kk6 n LYS 94 Ca 0.02 0.87 -0.23 0.00 -0.00 0.00 0.00 58.31 58.96 2kk6 n LYS 94 Cb 0.27 -5.40 0.05 0.00 0.00 0.00 0.00 35.03 29.94 2kk6 n LYS 94 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 2kk6 s GLN 95 N -5.05 2.45 0.51 1.64 -1.52 -0.58 -4.86 119.66 112.25 2kk6 s GLN 95 Ca 0.06 -0.49 -0.18 0.00 -1.95 0.00 0.00 55.36 52.79 2kk6 s GLN 95 Cb -0.03 -2.34 -0.08 0.00 -0.22 0.00 0.00 33.01 30.34 2kk6 s GLN 95 CO 0.07 -0.91 1.01 0.14 -0.25 0.00 0.00 175.29 175.35 2kk6 s VAL 96 N -2.97 4.17 -0.03 1.09 -7.23 -1.26 -4.39 120.40 109.78 2kk6 s VAL 96 Ca 0.58 1.17 -0.08 0.00 -1.81 0.00 0.00 61.98 61.84 2kk6 s VAL 96 Cb -0.10 -3.56 -0.04 0.00 0.56 0.00 0.00 36.38 33.24 2kk6 s VAL 96 CO 0.41 -0.47 0.42 0.40 -0.31 0.00 0.00 175.10 175.56 2kk6 h ILE 97 N 1.17 0.00 -4.20 -0.62 1.08 -1.02 -3.47 117.51 110.45 2kk6 h ILE 97 Ca -0.48 -0.44 -0.56 0.00 -0.39 0.00 0.00 64.86 62.98 2kk6 h ILE 97 Cb 1.20 0.00 -0.26 0.00 -3.07 0.00 0.00 36.82 34.69 2kk6 h ILE 97 CO 0.60 0.00 -0.84 0.42 -0.69 0.00 0.00 178.15 177.64 2kk6 s THR 98 N -2.45 1.57 -0.20 -0.27 -4.23 -1.26 -4.23 115.64 104.56 2kk6 s THR 98 Ca -0.04 -1.10 0.29 0.00 -1.18 0.00 0.00 61.69 59.66 2kk6 s THR 98 Cb 0.00 -1.36 0.33 0.00 1.34 0.00 0.00 72.50 72.81 2kk6 s THR 98 CO 0.12 0.23 1.85 0.11 -0.54 0.00 0.00 174.62 176.38 2kk6 h LYS 99 N 5.04 0.00 -0.47 3.99 1.79 -1.93 0.16 116.57 125.15 2kk6 h LYS 99 Ca -0.41 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.09 2kk6 h LYS 99 Cb 1.16 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.78 2kk6 h LYS 99 CO 0.45 0.00 0.31 0.87 -1.08 0.00 0.00 179.45 180.00 2kk6 h LYS 100 N 0.00 0.53 0.00 3.15 1.79 -2.00 -3.39 116.57 116.64 2kk6 h LYS 100 Ca 0.00 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 2kk6 h LYS 100 Cb 0.47 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 2kk6 h LYS 100 CO 0.00 0.35 -0.16 -1.13 -1.08 0.00 0.00 179.45 177.43 2kk6 n SER 101 N -4.47 0.95 0.00 0.86 3.41 -0.86 -5.06 113.62 108.44 2kk6 n SER 101 Ca 0.05 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 2kk6 n SER 101 Cb 0.13 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 2kk6 n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kk6 n GLY 102 N 3.07 1.34 3.71 5.00 0.00 0.51 -5.05 105.19 113.76 2kk6 n GLY 102 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2kk6 n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kk6 s VAL 103 N -2.00 4.27 -0.01 1.61 1.01 -1.26 -4.84 120.40 119.18 2kk6 s VAL 103 Ca 0.00 1.62 0.03 0.00 0.00 0.00 0.00 61.98 63.64 2kk6 s VAL 103 Cb 0.00 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 2kk6 s VAL 103 CO 0.00 0.10 -0.09 -0.69 0.00 0.00 0.00 175.10 174.42 2kk6 s VAL 104 N 1.24 3.45 -0.18 2.92 1.01 -1.26 -0.36 120.40 127.22 2kk6 s VAL 104 Ca 0.57 -0.78 -0.18 0.00 0.00 0.00 0.00 61.98 61.59 2kk6 s VAL 104 Cb -0.27 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 2kk6 s VAL 104 CO 0.28 0.45 0.48 -0.76 0.00 0.00 0.00 175.10 175.55 2kk6 s LEU 105 N -1.22 4.18 0.06 3.92 1.43 -1.26 -4.86 118.68 120.93 2kk6 s LEU 105 Ca 0.15 0.68 -0.05 0.00 -1.03 0.00 0.00 54.13 53.88 2kk6 s LEU 105 Cb -0.11 -2.66 -0.02 0.00 0.03 0.00 0.00 46.19 43.43 2kk6 s LEU 105 CO 0.05 -0.11 0.07 -1.48 0.23 0.00 0.00 176.35 175.11 2kk6 s LEU 106 N 1.29 1.97 -0.29 1.79 2.34 -1.25 -4.80 118.68 119.74 2kk6 s LEU 106 Ca 0.23 -0.75 -0.24 0.00 0.06 0.00 0.00 54.13 53.44 2kk6 s LEU 106 Cb -0.15 0.56 0.04 0.00 -0.56 0.00 0.00 46.19 46.07 2kk6 s LEU 106 CO 0.09 -0.60 0.42 -0.46 -1.06 0.00 0.00 176.35 174.74 2kk6 n ASN 107 N 0.30 -6.00 -4.68 1.48 6.94 -1.26 -4.10 115.26 107.93 2kk6 n ASN 107 Ca -0.16 0.09 -0.42 0.00 -0.02 0.00 0.00 54.58 54.07 2kk6 n ASN 107 Cb 0.60 -1.82 -0.03 0.00 -2.36 0.00 0.00 39.78 36.18 2kk6 n ASN 107 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 2kk6 s PRO 108 N -1.93 4.28 -0.28 -0.53 0.04 -1.26 -4.23 135.00 131.07 2kk6 s PRO 108 Ca 0.24 1.94 -0.29 0.00 0.04 0.00 0.00 61.00 62.93 2kk6 s PRO 108 Cb -0.03 -3.62 -0.00 0.00 0.04 0.00 0.00 34.50 30.89 2kk6 s PRO 108 CO 0.57 -0.60 1.30 0.42 0.04 0.00 0.00 177.00 178.73 2kk6 s ILE 109 N 2.60 4.16 0.90 0.56 -1.09 -1.21 -4.83 121.20 122.29 2kk6 s ILE 109 Ca 0.63 1.32 -0.12 0.00 -2.23 0.00 0.00 60.65 60.25 2kk6 s ILE 109 Cb -0.30 -4.14 0.13 0.00 -1.58 0.00 0.00 42.46 36.57 2kk6 s ILE 109 CO 0.25 -0.44 1.09 -2.84 -1.23 0.00 0.00 174.94 171.78 2kk6 s PRO 110 N 4.10 1.21 0.06 2.79 0.02 -1.25 -4.13 135.00 137.79 2kk6 s PRO 110 Ca 0.56 0.78 0.10 0.00 0.02 0.00 0.00 61.00 62.45 2kk6 s PRO 110 Cb -0.17 -1.81 -0.03 0.00 0.02 0.00 0.00 34.50 32.51 2kk6 s PRO 110 CO 0.22 -2.26 -0.26 -1.59 -0.33 0.00 0.00 177.00 172.78 2kk6 s LYS 111 N -4.95 1.74 0.19 5.54 0.00 -1.18 -4.97 119.74 116.11 2kk6 s LYS 111 Ca 0.63 -1.14 -0.28 0.00 0.00 0.00 0.00 55.97 55.18 2kk6 s LYS 111 Cb -0.18 -1.96 -0.08 0.00 0.00 0.00 0.00 37.83 35.61 2kk6 s LYS 111 CO 0.57 0.50 0.87 -0.51 0.00 0.00 0.00 175.35 176.78 2kk6 s ASP 112 N -1.36 7.51 -1.25 0.03 1.11 -1.26 -4.96 116.67 116.50 2kk6 s ASP 112 Ca 0.12 1.79 -0.13 0.00 0.18 0.00 0.00 52.55 54.51 2kk6 s ASP 112 Cb -0.10 -2.56 -0.05 0.00 1.07 0.00 0.00 42.92 41.28 2kk6 s ASP 112 CO 0.03 0.16 2.32 0.29 1.18 0.00 0.00 175.17 179.15 2kk6 n LYS 113 N 1.69 2.62 -4.51 8.23 4.76 -1.26 -4.88 118.16 124.82 2kk6 n LYS 113 Ca -0.03 -2.13 -0.24 0.00 -2.87 0.00 0.00 58.31 53.04 2kk6 n LYS 113 Cb 0.48 -2.94 -0.11 0.00 -1.84 0.00 0.00 35.03 30.63 2kk6 n LYS 113 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2kk6 s LYS 114 N 3.38 1.74 -1.16 1.97 2.20 -1.26 -5.04 119.74 121.57 2kk6 s LYS 114 Ca 0.54 -1.91 -0.22 0.00 -0.36 0.00 0.00 55.97 54.02 2kk6 s LYS 114 Cb 0.14 -1.48 -0.08 0.00 -1.51 0.00 0.00 37.83 34.90 2kk6 s LYS 114 CO -0.03 0.07 1.92 0.91 -0.36 0.00 0.00 175.35 177.86 2kk6 n TRP 115 N -0.74 2.82 1.08 4.03 7.02 -1.26 -5.25 117.44 125.13 2kk6 n TRP 115 Ca -0.05 -1.62 0.12 0.00 -1.02 0.00 0.00 57.50 54.94 2kk6 n TRP 115 Cb 0.64 -2.54 0.17 0.00 -2.42 0.00 0.00 31.31 27.16 2kk6 n TRP 115 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78